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Crystal structure of ndm-1 in complex with D-captopril derivative WSS04134

Analyse Crystal structure of ndm-1 in complex with D-captopril derivative WSS04134 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LJ8
Type
protein
Length
230 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
C7C422
Ligands
EG0, ZN

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein230—C7C422

Ligands and binding sites

  • EG0 · 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6LJ8 · Crystal structure of NDM-1 in complex with D-captopril derivative wss04134 · the same entry in another collection · chain A against A, TM-score 1.00
  • C7C422 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (C7C422) · a predicted model of the same protein · chain A against A, TM-score 1.00

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